2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid

C13H16ClNO3 — CID 154114926

IUPAC2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCCC(O)C2)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-11-6-9(7-13(17)18)3-4-12(11)15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyHRPXGBRJSBLRTB-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.93
Rot. Bonds3

About 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid

2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid (PubChem CID 154114926) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid
PubChem CID154114926
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCCC(O)C2)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-11-6-9(7-13(17)18)3-4-12(11)15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyHRPXGBRJSBLRTB-UHFFFAOYSA-N
XLogP1.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-3-ol
CID 81148887
3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid
CID 117423057
1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-ol
CID 81148819
2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
CID 83820204
4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid
CID 82785315
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
2-(3-bromo-4-piperidin-1-ylphenyl)acetic acid
CID 117480207
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde
CID 114844067
1-[2-chloro-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 81149037
(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 94819719
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid (CID 154114926) is 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid is O=C(O)Cc1ccc(N2CCCC(O)C2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid?
The InChIKey is HRPXGBRJSBLRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-11-6-9(7-13(17)18)3-4-12(11)15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18).
What are the key properties of 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid?
2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid has a molecular weight of 269.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 154114926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).